HRID191768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

HCID24290

未命名化合物

HCID27284

Fe +2 ion

Fe+2

结构：CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

HCID45480279

tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylate

C19H32BN3O4

结构：COc1ccc(-n2nnnc2-c2cc(Br)cnc2N)c(F)c1F

HCID58293763

未命名化合物

HCID178420532

未命名化合物

2 次

PRODUCTS

生成物

结构：COc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cnc2N)c(F)c1F

HCID58293836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8db209aade484deca56ead410ea45b8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][n:11][n:12][n:13]2-[c:14]2[c:15]([F:23])[c:16]([F:22])[c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:5]([NH2:8])[n:6][cH:7]1.[C:51](=[O:52])([OH:53])[O-:54].[CH3:24][C:25]1([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30][B:31]([c:32]2[cH:33][n:34][n:35]([CH:37]3[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]3)[cH:36]2)[O:50]1.[CH3:96][O:97][CH2:98][CH2:99][O:100][CH3:101].[Fe+2:95].[Na+:55].[Pd:56]([Cl:57])[Cl:58].[cH:59]1[cH:60][cH:61][c:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c-:70]2[cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76]1.[cH:77]1[cH:78][cH:79][c:80]([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c-:88]2[cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94]1>>[c:2]1(-[c:32]2[cH:33][n:34][n:35]([CH:37]3[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]3)[cH:36]2)[cH:3][c:4](-[c:9]2[n:10][n:11][n:12][n:13]2-[c:14]2[c:15]([F:23])[c:16]([F:22])[c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:5]([NH2:8])[n:6][cH:7]1